2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine

C16H27N3 — CID 131998952

IUPAC2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
SMILESCCCc1cnc(N2CCC(C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H27N3/c1-5-6-13-11-17-15(18-12-13)19-9-7-14(8-10-19)16(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyBTMIGSPNQWFTFM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.69
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine

2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine (PubChem CID 131998952) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
PubChem CID131998952
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
SMILESCCCc1cnc(N2CCC(C(C)(C)C)CC2)nc1
InChIInChI=1S/C16H27N3/c1-5-6-13-11-17-15(18-12-13)19-9-7-14(8-10-19)16(2,3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyBTMIGSPNQWFTFM-UHFFFAOYSA-N
XLogP3.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine (CID 131998952) is 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine is CCCc1cnc(N2CCC(C(C)(C)C)CC2)nc1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine?
The InChIKey is BTMIGSPNQWFTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-6-13-11-17-15(18-12-13)19-9-7-14(8-10-19)16(2,3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine?
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine has a molecular weight of 261.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine is sourced from PubChem (CID 131998952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).